General Information of the Compound
Compound ID
CP0321394
Compound Name
N-(3,4-difluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetamide
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Structure
Formula
C16H16F2N4O3
Molecular Weight
350.325
Canonical SMILES
Fc1ccc(NC(=O)Cc2nc(cc(=O)[nH]2)N2CCOCC2)cc1F
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InChI
InChI=1S/C16H16F2N4O3/c17-11-2-1-10(7-12(11)18)19-15(23)8-13-20-14(9-16(24)21-13)22-3-5-25-6-4-22/h1-2,7,9H,3-6,8H2,(H,19,23)(H,20,21,24)
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InChIKey
ROOJZDCDUIGSPK-UHFFFAOYSA-N
Physicochemical Property
logP
1.0659
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
87.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 136230231
SID: 163439839
ChEMBL ID
CHEMBL2151924
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 23 nM
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